methyl 2-(2,4-difluorophenoxy)acetate

C9H8F2O3 — CID 23434554

IUPACmethyl 2-(2,4-difluorophenoxy)acetate
SMILESCOC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C9H8F2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
InChIKeyIUBJMZJUWOIZRP-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-(2,4-difluorophenoxy)acetate

methyl 2-(2,4-difluorophenoxy)acetate (PubChem CID 23434554) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is methyl 2-(2,4-difluorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-difluorophenoxy)acetate
PubChem CID23434554
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Namemethyl 2-(2,4-difluorophenoxy)acetate
SMILESCOC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C9H8F2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
InChIKeyIUBJMZJUWOIZRP-UHFFFAOYSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
methyl 4-[[2-(2,4-difluorophenoxy)acetyl]-methylamino]butanoate
CID 60736752
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
1-dimethoxyphosphorylethyl 2-(2,4-difluorophenoxy)acetate
CID 11688401
methyl 2-(2-chloro-3,5-difluorophenoxy)acetate
CID 164905285
methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate
CID 107665927
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
methyl 2-(4-fluorophenoxy)acetate
CID 580550
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
2-(2,4-difluorophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 39908076

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-difluorophenoxy)acetate?
The IUPAC name of methyl 2-(2,4-difluorophenoxy)acetate (CID 23434554) is methyl 2-(2,4-difluorophenoxy)acetate.
What is the SMILES notation for methyl 2-(2,4-difluorophenoxy)acetate?
The canonical SMILES for methyl 2-(2,4-difluorophenoxy)acetate is COC(=O)COc1ccc(F)cc1F.
What is the InChIKey of methyl 2-(2,4-difluorophenoxy)acetate?
The InChIKey is IUBJMZJUWOIZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(2,4-difluorophenoxy)acetate?
methyl 2-(2,4-difluorophenoxy)acetate has a molecular weight of 202.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-difluorophenoxy)acetate is sourced from PubChem (CID 23434554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).